(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylamide Formula: C25H30N5O3S+ MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N5O3S/c1-19-24(20(2)30(27-19)22-7-5-4-6-8-22)13-14-25(31)26-21-9-11-23(12-10-21)34(32,33)29-17-15-28(3)16-18-29/h4-14H,15-18H2,1-3H3,(H,26,31)/p+1/b14-13+